USER MOD reduce.3.24.130724 H: found=0, std=0, add=495, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 497 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 ASN : amide:sc= -0.0247 K(o=-0.025,f=-1.5!) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot -130:sc= -0.721 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -0.0596 K(o=-0.06,f=-0.67) USER MOD Single : A 20 ASN : amide:sc= -0.332 X(o=-0.33,f=-0.66) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.0116 X(o=-0.012,f=0) USER MOD Single : A 29 ASN : amide:sc= -0.0888 K(o=-0.089,f=-1.2) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0.026) USER MOD Single : A 38 ASN : amide:sc= -0.378 K(o=-0.38,f=1.1) USER MOD Single : A 39 MET CE :methyl 158:sc= -0.0412 (180deg=-0.301) USER MOD Single : B 180 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : B 181 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 182 THR OG1 : rot 170:sc= 0 USER MOD Single : B 183 LYS NZ :NH3+ 172:sc= -0.142 (180deg=-0.297) USER MOD Single : B 184 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 187 ASN : amide:sc= -0.386 X(o=-0.39,f=-0.081) USER MOD Single : B 192 ASN : amide:sc= -0.664 K(o=-0.66,f=-1.3) USER MOD Single : B 196 THR OG1 : rot 180:sc= 0 USER MOD Single : B 197 ASN : amide:sc= 0 X(o=0,f=-0.0024) USER MOD Single : B 201 ASN : amide:sc= -0.0172 X(o=-0.017,f=-0.37) USER MOD Single : B 208 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 209 ASN : amide:sc= -0.0588 K(o=-0.059,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 88 N LEU A 7 2.262 -1.631 -6.743 1.00 22.21 N ATOM 89 CA LEU A 7 2.542 -0.363 -7.408 1.00 2.14 C ATOM 90 C LEU A 7 3.859 0.231 -6.917 1.00 15.34 C ATOM 91 O LEU A 7 3.993 1.447 -6.786 1.00 75.44 O ATOM 92 CB LEU A 7 1.401 0.626 -7.165 1.00 0.44 C ATOM 93 CG LEU A 7 0.149 0.431 -8.021 1.00 21.32 C ATOM 94 CD1 LEU A 7 -1.073 1.001 -7.318 1.00 61.40 C ATOM 95 CD2 LEU A 7 0.332 1.078 -9.387 1.00 52.11 C ATOM 0 HA LEU A 7 2.628 -0.554 -8.478 1.00 2.14 H new ATOM 0 HB2 LEU A 7 1.112 0.566 -6.116 1.00 0.44 H new ATOM 0 HB3 LEU A 7 1.779 1.634 -7.334 1.00 0.44 H new ATOM 0 HG LEU A 7 -0.007 -0.638 -8.165 1.00 21.32 H new ATOM 0 HD11 LEU A 7 -1.954 0.853 -7.942 1.00 61.40 H new ATOM 0 HD12 LEU A 7 -1.214 0.492 -6.364 1.00 61.40 H new ATOM 0 HD13 LEU A 7 -0.928 2.067 -7.143 1.00 61.40 H new ATOM 0 HD21 LEU A 7 -0.568 0.930 -9.983 1.00 52.11 H new ATOM 0 HD22 LEU A 7 0.513 2.146 -9.263 1.00 52.11 H new ATOM 0 HD23 LEU A 7 1.182 0.622 -9.894 1.00 52.11 H new ATOM 107 N ASN A 8 4.829 -0.637 -6.646 1.00 52.22 N ATOM 108 CA ASN A 8 6.135 -0.199 -6.170 1.00 31.01 C ATOM 109 C ASN A 8 6.802 0.723 -7.185 1.00 25.14 C ATOM 110 O ASN A 8 7.257 1.815 -6.843 1.00 55.02 O ATOM 111 CB ASN A 8 7.033 -1.407 -5.895 1.00 13.52 C ATOM 112 CG ASN A 8 8.238 -1.051 -5.045 1.00 40.53 C ATOM 113 OD1 ASN A 8 8.266 -0.005 -4.397 1.00 64.11 O ATOM 114 ND2 ASN A 8 9.239 -1.923 -5.044 1.00 41.10 N ATOM 0 H ASN A 8 4.734 -1.647 -6.748 1.00 52.22 H new ATOM 0 HA ASN A 8 5.989 0.355 -5.243 1.00 31.01 H new ATOM 0 HB2 ASN A 8 6.453 -2.180 -5.392 1.00 13.52 H new ATOM 0 HB3 ASN A 8 7.371 -1.828 -6.842 1.00 13.52 H new ATOM 0 HD21 ASN A 8 10.076 -1.739 -4.490 1.00 41.10 H new ATOM 0 HD22 ASN A 8 9.172 -2.777 -5.597 1.00 41.10 H new ATOM 121 N ASN A 9 6.858 0.277 -8.436 1.00 41.41 N ATOM 122 CA ASN A 9 7.469 1.062 -9.502 1.00 1.22 C ATOM 123 C ASN A 9 6.731 2.383 -9.696 1.00 42.30 C ATOM 124 O ASN A 9 7.335 3.401 -10.037 1.00 62.25 O ATOM 125 CB ASN A 9 7.472 0.269 -10.810 1.00 63.24 C ATOM 126 CG ASN A 9 8.400 -0.930 -10.757 1.00 64.42 C ATOM 127 OD1 ASN A 9 7.973 -2.047 -10.466 1.00 41.02 O ATOM 128 ND2 ASN A 9 9.677 -0.701 -11.040 1.00 20.14 N ATOM 0 H ASN A 9 6.487 -0.625 -8.736 1.00 41.41 H new ATOM 0 HA ASN A 9 8.498 1.280 -9.215 1.00 1.22 H new ATOM 0 HB2 ASN A 9 6.459 -0.068 -11.030 1.00 63.24 H new ATOM 0 HB3 ASN A 9 7.774 0.923 -11.628 1.00 63.24 H new ATOM 0 HD21 ASN A 9 10.349 -1.468 -11.021 1.00 20.14 H new ATOM 0 HD22 ASN A 9 9.986 0.242 -11.276 1.00 20.14 H new ATOM 135 N THR A 10 5.420 2.361 -9.477 1.00 21.14 N ATOM 136 CA THR A 10 4.599 3.555 -9.628 1.00 60.22 C ATOM 137 C THR A 10 4.992 4.625 -8.615 1.00 20.30 C ATOM 138 O THR A 10 5.050 5.811 -8.940 1.00 22.00 O ATOM 139 CB THR A 10 3.103 3.232 -9.461 1.00 41.54 C ATOM 140 OG1 THR A 10 2.667 2.367 -10.515 1.00 71.44 O ATOM 141 CG2 THR A 10 2.271 4.506 -9.468 1.00 40.34 C ATOM 0 H THR A 10 4.904 1.528 -9.194 1.00 21.14 H new ATOM 0 HA THR A 10 4.772 3.932 -10.636 1.00 60.22 H new ATOM 0 HB THR A 10 2.967 2.732 -8.502 1.00 41.54 H new ATOM 0 HG1 THR A 10 1.852 2.731 -10.921 1.00 71.44 H new ATOM 0 HG21 THR A 10 1.217 4.253 -9.349 1.00 40.34 H new ATOM 0 HG22 THR A 10 2.585 5.150 -8.647 1.00 40.34 H new ATOM 0 HG23 THR A 10 2.414 5.029 -10.414 1.00 40.34 H new ATOM 149 N LYS A 11 5.264 4.199 -7.386 1.00 74.04 N ATOM 150 CA LYS A 11 5.655 5.119 -6.326 1.00 50.34 C ATOM 151 C LYS A 11 6.868 5.944 -6.741 1.00 63.02 C ATOM 152 O LYS A 11 6.977 7.123 -6.400 1.00 52.43 O ATOM 153 CB LYS A 11 5.965 4.347 -5.041 1.00 43.13 C ATOM 154 CG LYS A 11 5.183 4.836 -3.834 1.00 4.20 C ATOM 155 CD LYS A 11 6.107 5.319 -2.729 1.00 22.14 C ATOM 156 CE LYS A 11 5.419 5.287 -1.373 1.00 30.53 C ATOM 157 NZ LYS A 11 6.126 6.133 -0.372 1.00 35.34 N1+ ATOM 0 H LYS A 11 5.221 3.221 -7.100 1.00 74.04 H new ATOM 0 HA LYS A 11 4.822 5.798 -6.143 1.00 50.34 H new ATOM 0 HB2 LYS A 11 5.748 3.291 -5.200 1.00 43.13 H new ATOM 0 HB3 LYS A 11 7.031 4.425 -4.829 1.00 43.13 H new ATOM 0 HG2 LYS A 11 4.518 5.646 -4.134 1.00 4.20 H new ATOM 0 HG3 LYS A 11 4.553 4.030 -3.457 1.00 4.20 H new ATOM 0 HD2 LYS A 11 6.999 4.694 -2.700 1.00 22.14 H new ATOM 0 HD3 LYS A 11 6.437 6.335 -2.947 1.00 22.14 H new ATOM 0 HE2 LYS A 11 4.391 5.633 -1.479 1.00 30.53 H new ATOM 0 HE3 LYS A 11 5.374 4.259 -1.013 1.00 30.53 H new ATOM 0 HZ1 LYS A 11 5.626 6.084 0.539 1.00 35.34 H new ATOM 0 HZ2 LYS A 11 7.100 5.788 -0.251 1.00 35.34 H new ATOM 0 HZ3 LYS A 11 6.147 7.119 -0.703 1.00 35.34 H new ATOM 171 N LYS A 12 7.778 5.320 -7.480 1.00 31.45 N ATOM 172 CA LYS A 12 8.983 5.996 -7.944 1.00 62.44 C ATOM 173 C LYS A 12 8.658 6.976 -9.069 1.00 12.34 C ATOM 174 O LYS A 12 9.313 8.008 -9.214 1.00 40.53 O ATOM 175 CB LYS A 12 10.013 4.972 -8.429 1.00 4.02 C ATOM 176 CG LYS A 12 11.039 4.598 -7.374 1.00 22.23 C ATOM 177 CD LYS A 12 12.205 3.831 -7.976 1.00 64.03 C ATOM 178 CE LYS A 12 12.916 2.985 -6.932 1.00 14.01 C ATOM 179 NZ LYS A 12 14.352 2.781 -7.267 1.00 62.54 N1+ ATOM 0 H LYS A 12 7.704 4.345 -7.771 1.00 31.45 H new ATOM 0 HA LYS A 12 9.401 6.555 -7.107 1.00 62.44 H new ATOM 0 HB2 LYS A 12 9.493 4.071 -8.754 1.00 4.02 H new ATOM 0 HB3 LYS A 12 10.530 5.373 -9.301 1.00 4.02 H new ATOM 0 HG2 LYS A 12 11.409 5.501 -6.888 1.00 22.23 H new ATOM 0 HG3 LYS A 12 10.564 3.993 -6.602 1.00 22.23 H new ATOM 0 HD2 LYS A 12 11.843 3.190 -8.780 1.00 64.03 H new ATOM 0 HD3 LYS A 12 12.912 4.532 -8.420 1.00 64.03 H new ATOM 0 HE2 LYS A 12 12.835 3.467 -5.958 1.00 14.01 H new ATOM 0 HE3 LYS A 12 12.421 2.017 -6.851 1.00 14.01 H new ATOM 0 HZ1 LYS A 12 14.801 2.199 -6.531 1.00 62.54 H new ATOM 0 HZ2 LYS A 12 14.429 2.298 -8.185 1.00 62.54 H new ATOM 0 HZ3 LYS A 12 14.831 3.703 -7.320 1.00 62.54 H new ATOM 193 N VAL A 13 7.642 6.646 -9.860 1.00 3.24 N ATOM 194 CA VAL A 13 7.229 7.498 -10.968 1.00 71.14 C ATOM 195 C VAL A 13 6.628 8.804 -10.462 1.00 43.31 C ATOM 196 O VAL A 13 6.888 9.873 -11.014 1.00 43.35 O ATOM 197 CB VAL A 13 6.201 6.787 -11.869 1.00 3.23 C ATOM 198 CG1 VAL A 13 5.830 7.668 -13.053 1.00 13.23 C ATOM 199 CG2 VAL A 13 6.742 5.446 -12.340 1.00 25.43 C ATOM 0 H VAL A 13 7.090 5.795 -9.754 1.00 3.24 H new ATOM 0 HA VAL A 13 8.124 7.715 -11.551 1.00 71.14 H new ATOM 0 HB VAL A 13 5.298 6.603 -11.286 1.00 3.23 H new ATOM 0 HG11 VAL A 13 5.103 7.150 -13.678 1.00 13.23 H new ATOM 0 HG12 VAL A 13 5.398 8.601 -12.691 1.00 13.23 H new ATOM 0 HG13 VAL A 13 6.723 7.885 -13.639 1.00 13.23 H new ATOM 0 HG21 VAL A 13 6.003 4.958 -12.975 1.00 25.43 H new ATOM 0 HG22 VAL A 13 7.660 5.603 -12.906 1.00 25.43 H new ATOM 0 HG23 VAL A 13 6.952 4.815 -11.477 1.00 25.43 H new ATOM 209 N ALA A 14 5.823 8.711 -9.409 1.00 32.43 N ATOM 210 CA ALA A 14 5.187 9.885 -8.826 1.00 44.13 C ATOM 211 C ALA A 14 6.204 10.756 -8.096 1.00 33.02 C ATOM 212 O ALA A 14 6.128 11.983 -8.138 1.00 12.14 O ATOM 213 CB ALA A 14 4.071 9.467 -7.880 1.00 64.14 C ATOM 0 H ALA A 14 5.596 7.833 -8.942 1.00 32.43 H new ATOM 0 HA ALA A 14 4.759 10.475 -9.637 1.00 44.13 H new ATOM 0 HB1 ALA A 14 3.605 10.355 -7.452 1.00 64.14 H new ATOM 0 HB2 ALA A 14 3.324 8.894 -8.429 1.00 64.14 H new ATOM 0 HB3 ALA A 14 4.483 8.852 -7.080 1.00 64.14 H new ATOM 219 N ASN A 15 7.154 10.111 -7.427 1.00 23.34 N ATOM 220 CA ASN A 15 8.187 10.827 -6.685 1.00 71.25 C ATOM 221 C ASN A 15 9.069 11.640 -7.629 1.00 10.32 C ATOM 222 O ASN A 15 9.680 12.628 -7.225 1.00 42.12 O ATOM 223 CB ASN A 15 9.045 9.843 -5.887 1.00 64.04 C ATOM 224 CG ASN A 15 10.144 10.538 -5.106 1.00 25.43 C ATOM 225 OD1 ASN A 15 11.190 10.881 -5.657 1.00 60.34 O ATOM 226 ND2 ASN A 15 9.912 10.748 -3.816 1.00 74.41 N ATOM 0 H ASN A 15 7.231 9.095 -7.383 1.00 23.34 H new ATOM 0 HA ASN A 15 7.696 11.513 -5.995 1.00 71.25 H new ATOM 0 HB2 ASN A 15 8.410 9.286 -5.198 1.00 64.04 H new ATOM 0 HB3 ASN A 15 9.490 9.117 -6.568 1.00 64.04 H new ATOM 0 HD21 ASN A 15 10.615 11.211 -3.240 1.00 74.41 H new ATOM 0 HD22 ASN A 15 9.030 10.447 -3.401 1.00 74.41 H new ATOM 233 N ALA A 16 9.128 11.216 -8.887 1.00 23.03 N ATOM 234 CA ALA A 16 9.933 11.905 -9.888 1.00 3.20 C ATOM 235 C ALA A 16 9.531 13.372 -10.000 1.00 62.43 C ATOM 236 O ALA A 16 10.379 14.247 -10.174 1.00 72.13 O ATOM 237 CB ALA A 16 9.803 11.214 -11.237 1.00 42.45 C ATOM 0 H ALA A 16 8.628 10.399 -9.237 1.00 23.03 H new ATOM 0 HA ALA A 16 10.975 11.865 -9.572 1.00 3.20 H new ATOM 0 HB1 ALA A 16 10.409 11.739 -11.975 1.00 42.45 H new ATOM 0 HB2 ALA A 16 10.147 10.183 -11.152 1.00 42.45 H new ATOM 0 HB3 ALA A 16 8.759 11.224 -11.552 1.00 42.45 H new ATOM 243 N PHE A 17 8.232 13.634 -9.901 1.00 13.44 N ATOM 244 CA PHE A 17 7.716 14.994 -9.994 1.00 4.44 C ATOM 245 C PHE A 17 8.380 15.899 -8.959 1.00 62.40 C ATOM 246 O PHE A 17 8.461 17.113 -9.140 1.00 15.21 O ATOM 247 CB PHE A 17 6.200 15.003 -9.797 1.00 15.42 C ATOM 248 CG PHE A 17 5.457 14.195 -10.823 1.00 12.52 C ATOM 249 CD1 PHE A 17 5.820 14.246 -12.159 1.00 11.14 C ATOM 250 CD2 PHE A 17 4.395 13.385 -10.450 1.00 23.14 C ATOM 251 CE1 PHE A 17 5.139 13.503 -13.105 1.00 71.31 C ATOM 252 CE2 PHE A 17 3.712 12.641 -11.392 1.00 15.42 C ATOM 253 CZ PHE A 17 4.084 12.700 -12.721 1.00 55.43 C ATOM 0 H PHE A 17 7.517 12.921 -9.756 1.00 13.44 H new ATOM 0 HA PHE A 17 7.948 15.376 -10.988 1.00 4.44 H new ATOM 0 HB2 PHE A 17 5.968 14.616 -8.805 1.00 15.42 H new ATOM 0 HB3 PHE A 17 5.844 16.033 -9.829 1.00 15.42 H new ATOM 0 HD1 PHE A 17 6.644 14.873 -12.465 1.00 11.14 H new ATOM 0 HD2 PHE A 17 4.099 13.335 -9.413 1.00 23.14 H new ATOM 0 HE1 PHE A 17 5.432 13.551 -14.143 1.00 71.31 H new ATOM 0 HE2 PHE A 17 2.887 12.013 -11.090 1.00 15.42 H new ATOM 0 HZ PHE A 17 3.550 12.119 -13.458 1.00 55.43 H new ATOM 263 N GLY A 18 8.853 15.297 -7.872 1.00 33.25 N ATOM 264 CA GLY A 18 9.504 16.061 -6.824 1.00 3.52 C ATOM 265 C GLY A 18 8.527 16.552 -5.774 1.00 13.22 C ATOM 266 O GLY A 18 7.861 17.570 -5.962 1.00 15.51 O ATOM 0 H GLY A 18 8.797 14.293 -7.699 1.00 33.25 H new ATOM 0 HA2 GLY A 18 10.265 15.443 -6.347 1.00 3.52 H new ATOM 0 HA3 GLY A 18 10.017 16.915 -7.266 1.00 3.52 H new ATOM 270 N LEU A 19 8.439 15.825 -4.665 1.00 32.24 N ATOM 271 CA LEU A 19 7.535 16.191 -3.580 1.00 14.23 C ATOM 272 C LEU A 19 8.160 15.882 -2.223 1.00 30.23 C ATOM 273 O LEU A 19 8.602 16.784 -1.513 1.00 51.10 O ATOM 274 CB LEU A 19 6.207 15.445 -3.724 1.00 40.30 C ATOM 275 CG LEU A 19 5.377 15.786 -4.962 1.00 63.32 C ATOM 276 CD1 LEU A 19 4.737 14.532 -5.537 1.00 73.31 C ATOM 277 CD2 LEU A 19 4.316 16.822 -4.623 1.00 74.15 C ATOM 0 H LEU A 19 8.982 14.979 -4.494 1.00 32.24 H new ATOM 0 HA LEU A 19 7.351 17.264 -3.639 1.00 14.23 H new ATOM 0 HB2 LEU A 19 6.413 14.375 -3.733 1.00 40.30 H new ATOM 0 HB3 LEU A 19 5.603 15.646 -2.839 1.00 40.30 H new ATOM 0 HG LEU A 19 6.040 16.209 -5.717 1.00 63.32 H new ATOM 0 HD11 LEU A 19 4.150 14.794 -6.417 1.00 73.31 H new ATOM 0 HD12 LEU A 19 5.515 13.822 -5.818 1.00 73.31 H new ATOM 0 HD13 LEU A 19 4.086 14.080 -4.789 1.00 73.31 H new ATOM 0 HD21 LEU A 19 3.735 17.053 -5.516 1.00 74.15 H new ATOM 0 HD22 LEU A 19 3.655 16.427 -3.852 1.00 74.15 H new ATOM 0 HD23 LEU A 19 4.797 17.730 -4.258 1.00 74.15 H new ATOM 289 N ASN A 20 8.194 14.601 -1.870 1.00 23.10 N ATOM 290 CA ASN A 20 8.767 14.173 -0.599 1.00 70.51 C ATOM 291 C ASN A 20 8.685 12.657 -0.449 1.00 30.54 C ATOM 292 O ASN A 20 9.689 11.956 -0.579 1.00 10.44 O ATOM 293 CB ASN A 20 8.042 14.852 0.565 1.00 74.50 C ATOM 294 CG ASN A 20 8.902 15.892 1.254 1.00 63.52 C ATOM 295 OD1 ASN A 20 8.592 17.083 1.233 1.00 3.31 O ATOM 296 ND2 ASN A 20 9.992 15.446 1.869 1.00 45.31 N ATOM 0 H ASN A 20 7.832 13.841 -2.446 1.00 23.10 H new ATOM 0 HA ASN A 20 9.817 14.466 -0.585 1.00 70.51 H new ATOM 0 HB2 ASN A 20 7.131 15.324 0.196 1.00 74.50 H new ATOM 0 HB3 ASN A 20 7.739 14.097 1.290 1.00 74.50 H new ATOM 0 HD21 ASN A 20 10.610 16.100 2.349 1.00 45.31 H new ATOM 0 HD22 ASN A 20 10.210 14.450 1.861 1.00 45.31 H new ATOM 303 N GLU A 21 7.484 12.158 -0.176 1.00 30.11 N ATOM 304 CA GLU A 21 7.273 10.725 -0.008 1.00 43.41 C ATOM 305 C GLU A 21 5.802 10.420 0.263 1.00 13.45 C ATOM 306 O GLU A 21 5.229 9.504 -0.325 1.00 33.41 O ATOM 307 CB GLU A 21 8.136 10.191 1.137 1.00 74.23 C ATOM 308 CG GLU A 21 8.034 11.013 2.411 1.00 50.11 C ATOM 309 CD GLU A 21 9.001 10.549 3.483 1.00 2.01 C ATOM 310 OE1 GLU A 21 9.924 9.775 3.156 1.00 72.01 O1- ATOM 311 OE2 GLU A 21 8.834 10.962 4.650 1.00 51.21 O ATOM 0 H GLU A 21 6.643 12.724 -0.066 1.00 30.11 H new ATOM 0 HA GLU A 21 7.564 10.229 -0.934 1.00 43.41 H new ATOM 0 HB2 GLU A 21 7.843 9.164 1.353 1.00 74.23 H new ATOM 0 HB3 GLU A 21 9.177 10.164 0.814 1.00 74.23 H new ATOM 0 HG2 GLU A 21 8.229 12.060 2.180 1.00 50.11 H new ATOM 0 HG3 GLU A 21 7.016 10.955 2.796 1.00 50.11 H new ATOM 318 N GLU A 22 5.199 11.195 1.159 1.00 41.15 N ATOM 319 CA GLU A 22 3.795 11.007 1.509 1.00 61.31 C ATOM 320 C GLU A 22 2.886 11.435 0.361 1.00 65.34 C ATOM 321 O GLU A 22 1.884 10.781 0.071 1.00 10.24 O ATOM 322 CB GLU A 22 3.451 11.801 2.771 1.00 62.42 C ATOM 323 CG GLU A 22 3.344 10.943 4.020 1.00 34.52 C ATOM 324 CD GLU A 22 3.869 11.646 5.257 1.00 54.32 C ATOM 325 OE1 GLU A 22 4.882 12.367 5.144 1.00 40.11 O ATOM 326 OE2 GLU A 22 3.267 11.474 6.337 1.00 2.51 O1- ATOM 0 H GLU A 22 5.659 11.958 1.655 1.00 41.15 H new ATOM 0 HA GLU A 22 3.633 9.946 1.701 1.00 61.31 H new ATOM 0 HB2 GLU A 22 4.213 12.564 2.929 1.00 62.42 H new ATOM 0 HB3 GLU A 22 2.506 12.322 2.616 1.00 62.42 H new ATOM 0 HG2 GLU A 22 2.302 10.667 4.178 1.00 34.52 H new ATOM 0 HG3 GLU A 22 3.900 10.017 3.869 1.00 34.52 H new ATOM 333 N ASP A 23 3.243 12.537 -0.289 1.00 43.40 N ATOM 334 CA ASP A 23 2.460 13.054 -1.405 1.00 71.22 C ATOM 335 C ASP A 23 2.374 12.026 -2.530 1.00 40.34 C ATOM 336 O ASP A 23 1.376 11.958 -3.248 1.00 74.12 O ATOM 337 CB ASP A 23 3.075 14.352 -1.931 1.00 3.33 C ATOM 338 CG ASP A 23 3.360 15.347 -0.823 1.00 64.20 C ATOM 339 OD1 ASP A 23 2.413 15.713 -0.097 1.00 42.03 O1- ATOM 340 OD2 ASP A 23 4.531 15.761 -0.684 1.00 11.43 O ATOM 0 H ASP A 23 4.070 13.090 -0.062 1.00 43.40 H new ATOM 0 HA ASP A 23 1.452 13.259 -1.045 1.00 71.22 H new ATOM 0 HB2 ASP A 23 4.001 14.124 -2.458 1.00 3.33 H new ATOM 0 HB3 ASP A 23 2.398 14.804 -2.656 1.00 3.33 H new ATOM 345 N THR A 24 3.427 11.228 -2.677 1.00 54.02 N ATOM 346 CA THR A 24 3.471 10.205 -3.715 1.00 40.11 C ATOM 347 C THR A 24 2.484 9.081 -3.421 1.00 23.12 C ATOM 348 O THR A 24 1.730 8.660 -4.298 1.00 3.51 O ATOM 349 CB THR A 24 4.884 9.609 -3.856 1.00 4.20 C ATOM 350 OG1 THR A 24 5.822 10.643 -4.175 1.00 75.12 O ATOM 351 CG2 THR A 24 4.914 8.538 -4.936 1.00 63.13 C ATOM 0 H THR A 24 4.261 11.270 -2.091 1.00 54.02 H new ATOM 0 HA THR A 24 3.195 10.691 -4.651 1.00 40.11 H new ATOM 0 HB THR A 24 5.158 9.151 -2.906 1.00 4.20 H new ATOM 0 HG1 THR A 24 6.718 10.256 -4.261 1.00 75.12 H new ATOM 0 HG21 THR A 24 5.922 8.132 -5.017 1.00 63.13 H new ATOM 0 HG22 THR A 24 4.220 7.739 -4.675 1.00 63.13 H new ATOM 0 HG23 THR A 24 4.621 8.975 -5.890 1.00 63.13 H new ATOM 359 N ASN A 25 2.495 8.599 -2.183 1.00 44.15 N ATOM 360 CA ASN A 25 1.600 7.523 -1.774 1.00 52.52 C ATOM 361 C ASN A 25 0.141 7.957 -1.884 1.00 60.23 C ATOM 362 O ASN A 25 -0.725 7.169 -2.265 1.00 71.03 O ATOM 363 CB ASN A 25 1.909 7.092 -0.339 1.00 52.40 C ATOM 364 CG ASN A 25 1.029 5.946 0.123 1.00 45.22 C ATOM 365 OD1 ASN A 25 0.328 6.054 1.129 1.00 54.10 O ATOM 366 ND2 ASN A 25 1.063 4.841 -0.612 1.00 63.01 N ATOM 0 H ASN A 25 3.114 8.936 -1.446 1.00 44.15 H new ATOM 0 HA ASN A 25 1.760 6.677 -2.443 1.00 52.52 H new ATOM 0 HB2 ASN A 25 2.955 6.794 -0.269 1.00 52.40 H new ATOM 0 HB3 ASN A 25 1.775 7.942 0.330 1.00 52.40 H new ATOM 0 HD21 ASN A 25 0.493 4.037 -0.350 1.00 63.01 H new ATOM 0 HD22 ASN A 25 1.659 4.796 -1.438 1.00 63.01 H new ATOM 373 N LEU A 26 -0.123 9.215 -1.548 1.00 33.41 N ATOM 374 CA LEU A 26 -1.477 9.755 -1.610 1.00 21.01 C ATOM 375 C LEU A 26 -2.025 9.688 -3.032 1.00 42.55 C ATOM 376 O LEU A 26 -3.207 9.410 -3.241 1.00 1.13 O ATOM 377 CB LEU A 26 -1.493 11.201 -1.112 1.00 32.14 C ATOM 378 CG LEU A 26 -2.805 11.683 -0.494 1.00 51.31 C ATOM 379 CD1 LEU A 26 -2.685 11.765 1.019 1.00 2.23 C ATOM 380 CD2 LEU A 26 -3.203 13.034 -1.072 1.00 32.31 C ATOM 0 H LEU A 26 0.582 9.880 -1.230 1.00 33.41 H new ATOM 0 HA LEU A 26 -2.114 9.149 -0.966 1.00 21.01 H new ATOM 0 HB2 LEU A 26 -0.701 11.318 -0.372 1.00 32.14 H new ATOM 0 HB3 LEU A 26 -1.247 11.855 -1.948 1.00 32.14 H new ATOM 0 HG LEU A 26 -3.585 10.961 -0.738 1.00 51.31 H new ATOM 0 HD11 LEU A 26 -3.629 12.110 1.441 1.00 2.23 H new ATOM 0 HD12 LEU A 26 -2.448 10.779 1.419 1.00 2.23 H new ATOM 0 HD13 LEU A 26 -1.892 12.465 1.284 1.00 2.23 H new ATOM 0 HD21 LEU A 26 -4.139 13.361 -0.620 1.00 32.31 H new ATOM 0 HD22 LEU A 26 -2.423 13.765 -0.860 1.00 32.31 H new ATOM 0 HD23 LEU A 26 -3.332 12.944 -2.151 1.00 32.31 H new ATOM 392 N LEU A 27 -1.160 9.944 -4.007 1.00 32.13 N ATOM 393 CA LEU A 27 -1.557 9.910 -5.410 1.00 50.23 C ATOM 394 C LEU A 27 -2.025 8.514 -5.811 1.00 65.21 C ATOM 395 O LEU A 27 -3.083 8.356 -6.420 1.00 74.11 O ATOM 396 CB LEU A 27 -0.392 10.345 -6.301 1.00 4.13 C ATOM 397 CG LEU A 27 -0.524 10.014 -7.788 1.00 22.15 C ATOM 398 CD1 LEU A 27 -0.312 11.261 -8.633 1.00 50.52 C ATOM 399 CD2 LEU A 27 0.466 8.927 -8.182 1.00 54.53 C ATOM 0 H LEU A 27 -0.179 10.177 -3.852 1.00 32.13 H new ATOM 0 HA LEU A 27 -2.387 10.603 -5.543 1.00 50.23 H new ATOM 0 HB2 LEU A 27 -0.266 11.423 -6.199 1.00 4.13 H new ATOM 0 HB3 LEU A 27 0.520 9.880 -5.925 1.00 4.13 H new ATOM 0 HG LEU A 27 -1.533 9.643 -7.970 1.00 22.15 H new ATOM 0 HD11 LEU A 27 -0.410 11.006 -9.688 1.00 50.52 H new ATOM 0 HD12 LEU A 27 -1.059 12.010 -8.370 1.00 50.52 H new ATOM 0 HD13 LEU A 27 0.685 11.661 -8.447 1.00 50.52 H new ATOM 0 HD21 LEU A 27 0.358 8.704 -9.243 1.00 54.53 H new ATOM 0 HD22 LEU A 27 1.481 9.271 -7.985 1.00 54.53 H new ATOM 0 HD23 LEU A 27 0.268 8.027 -7.600 1.00 54.53 H new ATOM 411 N ILE A 28 -1.231 7.507 -5.463 1.00 64.53 N ATOM 412 CA ILE A 28 -1.566 6.126 -5.784 1.00 34.21 C ATOM 413 C ILE A 28 -2.895 5.722 -5.154 1.00 63.03 C ATOM 414 O ILE A 28 -3.623 4.891 -5.696 1.00 44.44 O ATOM 415 CB ILE A 28 -0.469 5.156 -5.307 1.00 32.31 C ATOM 416 CG1 ILE A 28 0.879 5.530 -5.927 1.00 41.44 C ATOM 417 CG2 ILE A 28 -0.840 3.723 -5.660 1.00 0.10 C ATOM 418 CD1 ILE A 28 2.021 4.653 -5.467 1.00 70.20 C ATOM 0 H ILE A 28 -0.352 7.622 -4.959 1.00 64.53 H new ATOM 0 HA ILE A 28 -1.648 6.065 -6.869 1.00 34.21 H new ATOM 0 HB ILE A 28 -0.383 5.233 -4.223 1.00 32.31 H new ATOM 0 HG12 ILE A 28 0.800 5.469 -7.012 1.00 41.44 H new ATOM 0 HG13 ILE A 28 1.107 6.567 -5.682 1.00 41.44 H new ATOM 0 HG21 ILE A 28 -0.055 3.049 -5.317 1.00 0.10 H new ATOM 0 HG22 ILE A 28 -1.781 3.461 -5.176 1.00 0.10 H new ATOM 0 HG23 ILE A 28 -0.950 3.631 -6.741 1.00 0.10 H new ATOM 0 HD11 ILE A 28 2.944 4.976 -5.947 1.00 70.20 H new ATOM 0 HD12 ILE A 28 2.128 4.732 -4.385 1.00 70.20 H new ATOM 0 HD13 ILE A 28 1.816 3.617 -5.736 1.00 70.20 H new ATOM 430 N ASN A 29 -3.205 6.318 -4.006 1.00 34.31 N ATOM 431 CA ASN A 29 -4.447 6.020 -3.303 1.00 43.42 C ATOM 432 C ASN A 29 -5.655 6.472 -4.118 1.00 65.05 C ATOM 433 O ASN A 29 -6.694 5.812 -4.125 1.00 70.30 O ATOM 434 CB ASN A 29 -4.457 6.704 -1.934 1.00 55.42 C ATOM 435 CG ASN A 29 -5.094 5.839 -0.861 1.00 31.32 C ATOM 436 OD1 ASN A 29 -5.803 4.880 -1.163 1.00 14.42 O ATOM 437 ND2 ASN A 29 -4.840 6.177 0.398 1.00 65.31 N ATOM 0 H ASN A 29 -2.614 7.009 -3.544 1.00 34.31 H new ATOM 0 HA ASN A 29 -4.508 4.941 -3.164 1.00 43.42 H new ATOM 0 HB2 ASN A 29 -3.434 6.945 -1.643 1.00 55.42 H new ATOM 0 HB3 ASN A 29 -4.999 7.647 -2.006 1.00 55.42 H new ATOM 0 HD21 ASN A 29 -5.239 5.633 1.163 1.00 65.31 H new ATOM 0 HD22 ASN A 29 -4.246 6.981 0.600 1.00 65.31 H new ATOM 444 N ALA A 30 -5.511 7.602 -4.803 1.00 75.40 N ATOM 445 CA ALA A 30 -6.588 8.140 -5.625 1.00 13.51 C ATOM 446 C ALA A 30 -6.788 7.307 -6.886 1.00 30.43 C ATOM 447 O ALA A 30 -7.913 6.959 -7.241 1.00 73.13 O ATOM 448 CB ALA A 30 -6.302 9.590 -5.986 1.00 73.53 C ATOM 0 H ALA A 30 -4.659 8.163 -4.805 1.00 75.40 H new ATOM 0 HA ALA A 30 -7.510 8.096 -5.045 1.00 13.51 H new ATOM 0 HB1 ALA A 30 -7.114 9.979 -6.600 1.00 73.53 H new ATOM 0 HB2 ALA A 30 -6.220 10.182 -5.075 1.00 73.53 H new ATOM 0 HB3 ALA A 30 -5.367 9.649 -6.542 1.00 73.53 H new ATOM 454 N VAL A 31 -5.686 6.990 -7.560 1.00 11.22 N ATOM 455 CA VAL A 31 -5.739 6.197 -8.782 1.00 13.04 C ATOM 456 C VAL A 31 -6.164 4.762 -8.488 1.00 72.31 C ATOM 457 O VAL A 31 -7.101 4.244 -9.096 1.00 12.11 O ATOM 458 CB VAL A 31 -4.377 6.180 -9.500 1.00 30.01 C ATOM 459 CG1 VAL A 31 -4.521 5.624 -10.908 1.00 54.45 C ATOM 460 CG2 VAL A 31 -3.774 7.577 -9.529 1.00 75.22 C ATOM 0 H VAL A 31 -4.746 7.271 -7.280 1.00 11.22 H new ATOM 0 HA VAL A 31 -6.478 6.666 -9.432 1.00 13.04 H new ATOM 0 HB VAL A 31 -3.702 5.528 -8.946 1.00 30.01 H new ATOM 0 HG11 VAL A 31 -3.548 5.620 -11.399 1.00 54.45 H new ATOM 0 HG12 VAL A 31 -4.907 4.606 -10.859 1.00 54.45 H new ATOM 0 HG13 VAL A 31 -5.212 6.247 -11.476 1.00 54.45 H new ATOM 0 HG21 VAL A 31 -2.812 7.547 -10.040 1.00 75.22 H new ATOM 0 HG22 VAL A 31 -4.446 8.252 -10.059 1.00 75.22 H new ATOM 0 HG23 VAL A 31 -3.632 7.933 -8.509 1.00 75.22 H new ATOM 470 N ASP A 32 -5.469 4.125 -7.552 1.00 25.53 N ATOM 471 CA ASP A 32 -5.774 2.750 -7.176 1.00 33.24 C ATOM 472 C ASP A 32 -7.244 2.604 -6.795 1.00 41.33 C ATOM 473 O ASP A 32 -7.887 1.608 -7.127 1.00 60.44 O ATOM 474 CB ASP A 32 -4.886 2.308 -6.011 1.00 54.44 C ATOM 475 CG ASP A 32 -5.059 0.840 -5.675 1.00 53.44 C ATOM 476 OD1 ASP A 32 -6.202 0.430 -5.381 1.00 2.11 O1- ATOM 477 OD2 ASP A 32 -4.054 0.101 -5.706 1.00 23.33 O ATOM 0 H ASP A 32 -4.690 4.539 -7.040 1.00 25.53 H new ATOM 0 HA ASP A 32 -5.575 2.112 -8.037 1.00 33.24 H new ATOM 0 HB2 ASP A 32 -3.842 2.500 -6.260 1.00 54.44 H new ATOM 0 HB3 ASP A 32 -5.119 2.909 -5.132 1.00 54.44 H new ATOM 482 N LEU A 33 -7.769 3.603 -6.094 1.00 52.42 N ATOM 483 CA LEU A 33 -9.164 3.586 -5.666 1.00 44.04 C ATOM 484 C LEU A 33 -10.098 3.852 -6.843 1.00 74.51 C ATOM 485 O LEU A 33 -11.223 3.351 -6.881 1.00 64.24 O ATOM 486 CB LEU A 33 -9.395 4.631 -4.572 1.00 65.24 C ATOM 487 CG LEU A 33 -10.768 4.608 -3.902 1.00 53.52 C ATOM 488 CD1 LEU A 33 -10.858 3.460 -2.907 1.00 24.03 C ATOM 489 CD2 LEU A 33 -11.049 5.935 -3.213 1.00 64.10 C ATOM 0 H LEU A 33 -7.251 4.434 -5.810 1.00 52.42 H new ATOM 0 HA LEU A 33 -9.384 2.596 -5.267 1.00 44.04 H new ATOM 0 HB2 LEU A 33 -8.635 4.496 -3.802 1.00 65.24 H new ATOM 0 HB3 LEU A 33 -9.240 5.620 -5.003 1.00 65.24 H new ATOM 0 HG LEU A 33 -11.523 4.455 -4.673 1.00 53.52 H new ATOM 0 HD11 LEU A 33 -11.843 3.460 -2.440 1.00 24.03 H new ATOM 0 HD12 LEU A 33 -10.703 2.515 -3.427 1.00 24.03 H new ATOM 0 HD13 LEU A 33 -10.093 3.582 -2.140 1.00 24.03 H new ATOM 0 HD21 LEU A 33 -12.031 5.899 -2.742 1.00 64.10 H new ATOM 0 HD22 LEU A 33 -10.289 6.119 -2.454 1.00 64.10 H new ATOM 0 HD23 LEU A 33 -11.029 6.739 -3.949 1.00 64.10 H new ATOM 501 N ASP A 34 -9.624 4.639 -7.803 1.00 14.30 N ATOM 502 CA ASP A 34 -10.415 4.968 -8.983 1.00 30.44 C ATOM 503 C ASP A 34 -10.681 3.722 -9.823 1.00 2.44 C ATOM 504 O ASP A 34 -11.810 3.478 -10.250 1.00 45.50 O ATOM 505 CB ASP A 34 -9.698 6.023 -9.826 1.00 50.11 C ATOM 506 CG ASP A 34 -10.662 6.888 -10.614 1.00 3.14 C ATOM 507 OD1 ASP A 34 -11.418 6.333 -11.439 1.00 51.41 O ATOM 508 OD2 ASP A 34 -10.662 8.119 -10.405 1.00 22.15 O1- ATOM 0 H ASP A 34 -8.696 5.061 -7.787 1.00 14.30 H new ATOM 0 HA ASP A 34 -11.371 5.370 -8.649 1.00 30.44 H new ATOM 0 HB2 ASP A 34 -9.095 6.656 -9.175 1.00 50.11 H new ATOM 0 HB3 ASP A 34 -9.012 5.529 -10.514 1.00 50.11 H new ATOM 513 N ILE A 35 -9.633 2.938 -10.058 1.00 1.13 N ATOM 514 CA ILE A 35 -9.754 1.718 -10.847 1.00 3.31 C ATOM 515 C ILE A 35 -10.622 0.687 -10.134 1.00 3.24 C ATOM 516 O ILE A 35 -11.433 0.004 -10.759 1.00 53.15 O ATOM 517 CB ILE A 35 -8.375 1.099 -11.139 1.00 62.31 C ATOM 518 CG1 ILE A 35 -7.619 1.945 -12.166 1.00 51.31 C ATOM 519 CG2 ILE A 35 -8.531 -0.330 -11.635 1.00 74.22 C ATOM 520 CD1 ILE A 35 -6.592 2.869 -11.549 1.00 41.43 C ATOM 0 H ILE A 35 -8.692 3.126 -9.713 1.00 1.13 H new ATOM 0 HA ILE A 35 -10.225 1.996 -11.790 1.00 3.31 H new ATOM 0 HB ILE A 35 -7.798 1.082 -10.215 1.00 62.31 H new ATOM 0 HG12 ILE A 35 -7.121 1.283 -12.874 1.00 51.31 H new ATOM 0 HG13 ILE A 35 -8.335 2.539 -12.734 1.00 51.31 H new ATOM 0 HG21 ILE A 35 -7.548 -0.754 -11.837 1.00 74.22 H new ATOM 0 HG22 ILE A 35 -9.034 -0.926 -10.874 1.00 74.22 H new ATOM 0 HG23 ILE A 35 -9.123 -0.335 -12.550 1.00 74.22 H new ATOM 0 HD11 ILE A 35 -6.095 3.437 -12.335 1.00 41.43 H new ATOM 0 HD12 ILE A 35 -7.087 3.556 -10.862 1.00 41.43 H new ATOM 0 HD13 ILE A 35 -5.853 2.280 -11.005 1.00 41.43 H new ATOM 532 N LYS A 36 -10.446 0.579 -8.821 1.00 33.00 N ATOM 533 CA LYS A 36 -11.214 -0.367 -8.022 1.00 13.54 C ATOM 534 C LYS A 36 -12.712 -0.145 -8.205 1.00 41.22 C ATOM 535 O LYS A 36 -13.488 -1.098 -8.266 1.00 44.13 O ATOM 536 CB LYS A 36 -10.846 -0.232 -6.542 1.00 34.31 C ATOM 537 CG LYS A 36 -10.687 -1.565 -5.831 1.00 54.01 C ATOM 538 CD LYS A 36 -11.244 -1.514 -4.418 1.00 60.13 C ATOM 539 CE LYS A 36 -10.394 -2.327 -3.454 1.00 23.23 C ATOM 540 NZ LYS A 36 -10.744 -3.773 -3.489 1.00 73.24 N1+ ATOM 0 H LYS A 36 -9.778 1.136 -8.288 1.00 33.00 H new ATOM 0 HA LYS A 36 -10.969 -1.373 -8.362 1.00 13.54 H new ATOM 0 HB2 LYS A 36 -9.915 0.329 -6.457 1.00 34.31 H new ATOM 0 HB3 LYS A 36 -11.616 0.350 -6.036 1.00 34.31 H new ATOM 0 HG2 LYS A 36 -11.199 -2.343 -6.397 1.00 54.01 H new ATOM 0 HG3 LYS A 36 -9.632 -1.837 -5.797 1.00 54.01 H new ATOM 0 HD2 LYS A 36 -11.289 -0.478 -4.081 1.00 60.13 H new ATOM 0 HD3 LYS A 36 -12.265 -1.895 -4.414 1.00 60.13 H new ATOM 0 HE2 LYS A 36 -9.341 -2.202 -3.705 1.00 23.23 H new ATOM 0 HE3 LYS A 36 -10.528 -1.946 -2.442 1.00 23.23 H new ATOM 0 HZ1 LYS A 36 -10.142 -4.292 -2.818 1.00 73.24 H new ATOM 0 HZ2 LYS A 36 -11.742 -3.895 -3.225 1.00 73.24 H new ATOM 0 HZ3 LYS A 36 -10.592 -4.144 -4.449 1.00 73.24 H new ATOM 554 N ASN A 37 -13.112 1.120 -8.295 1.00 30.53 N ATOM 555 CA ASN A 37 -14.516 1.466 -8.473 1.00 43.43 C ATOM 556 C ASN A 37 -15.013 1.035 -9.850 1.00 11.51 C ATOM 557 O ASN A 37 -16.181 0.687 -10.019 1.00 5.40 O ATOM 558 CB ASN A 37 -14.718 2.973 -8.296 1.00 13.45 C ATOM 559 CG ASN A 37 -16.122 3.319 -7.837 1.00 15.45 C ATOM 560 OD1 ASN A 37 -17.102 3.013 -8.516 1.00 24.31 O ATOM 561 ND2 ASN A 37 -16.225 3.959 -6.678 1.00 23.24 N ATOM 0 H ASN A 37 -12.483 1.921 -8.247 1.00 30.53 H new ATOM 0 HA ASN A 37 -15.093 0.936 -7.715 1.00 43.43 H new ATOM 0 HB2 ASN A 37 -13.998 3.350 -7.570 1.00 13.45 H new ATOM 0 HB3 ASN A 37 -14.513 3.478 -9.240 1.00 13.45 H new ATOM 0 HD21 ASN A 37 -17.144 4.217 -6.318 1.00 23.24 H new ATOM 0 HD22 ASN A 37 -15.385 4.193 -6.148 1.00 23.24 H new ATOM 568 N ASN A 38 -14.117 1.060 -10.830 1.00 33.20 N ATOM 569 CA ASN A 38 -14.464 0.671 -12.193 1.00 2.15 C ATOM 570 C ASN A 38 -14.414 -0.846 -12.354 1.00 63.23 C ATOM 571 O ASN A 38 -15.079 -1.409 -13.223 1.00 73.45 O ATOM 572 CB ASN A 38 -13.513 1.333 -13.192 1.00 30.11 C ATOM 573 CG ASN A 38 -13.714 2.833 -13.275 1.00 43.13 C ATOM 574 OD1 ASN A 38 -13.260 3.581 -12.409 1.00 53.21 O ATOM 575 ND2 ASN A 38 -14.398 3.281 -14.321 1.00 32.10 N ATOM 0 H ASN A 38 -13.145 1.345 -10.707 1.00 33.20 H new ATOM 0 HA ASN A 38 -15.481 1.007 -12.393 1.00 2.15 H new ATOM 0 HB2 ASN A 38 -12.483 1.123 -12.903 1.00 30.11 H new ATOM 0 HB3 ASN A 38 -13.663 0.894 -14.178 1.00 30.11 H new ATOM 0 HD21 ASN A 38 -14.565 4.281 -14.431 1.00 32.10 H new ATOM 0 HD22 ASN A 38 -14.756 2.625 -15.015 1.00 32.10 H new ATOM 582 N MET A 39 -13.622 -1.500 -11.512 1.00 73.10 N ATOM 583 CA MET A 39 -13.488 -2.951 -11.560 1.00 72.41 C ATOM 584 C MET A 39 -14.851 -3.627 -11.457 1.00 1.41 C ATOM 585 O MET A 39 -15.042 -4.737 -11.954 1.00 1.43 O ATOM 586 CB MET A 39 -12.578 -3.439 -10.432 1.00 25.14 C ATOM 587 CG MET A 39 -12.034 -4.841 -10.652 1.00 34.12 C ATOM 588 SD MET A 39 -10.341 -4.840 -11.274 1.00 15.52 S ATOM 589 CE MET A 39 -9.450 -4.261 -9.832 1.00 54.14 C ATOM 0 H MET A 39 -13.063 -1.048 -10.788 1.00 73.10 H new ATOM 0 HA MET A 39 -13.041 -3.217 -12.518 1.00 72.41 H new ATOM 0 HB2 MET A 39 -11.743 -2.747 -10.325 1.00 25.14 H new ATOM 0 HB3 MET A 39 -13.132 -3.417 -9.494 1.00 25.14 H new ATOM 0 HG2 MET A 39 -12.071 -5.393 -9.713 1.00 34.12 H new ATOM 0 HG3 MET A 39 -12.676 -5.369 -11.357 1.00 34.12 H new ATOM 0 HE1 MET A 39 -8.406 -4.566 -9.903 1.00 54.14 H new ATOM 0 HE2 MET A 39 -9.508 -3.174 -9.781 1.00 54.14 H new ATOM 0 HE3 MET A 39 -9.893 -4.691 -8.934 1.00 54.14 H new ATOM 1232 N LEU B 179 -10.667 7.400 -14.471 1.00 4.42 N ATOM 1233 CA LEU B 179 -9.647 8.142 -13.737 1.00 25.33 C ATOM 1234 C LEU B 179 -9.744 9.636 -14.029 1.00 61.33 C ATOM 1235 O LEU B 179 -8.745 10.285 -14.336 1.00 40.22 O ATOM 1236 CB LEU B 179 -8.253 7.629 -14.104 1.00 0.31 C ATOM 1237 CG LEU B 179 -8.141 6.130 -14.386 1.00 41.44 C ATOM 1238 CD1 LEU B 179 -6.684 5.718 -14.515 1.00 11.23 C ATOM 1239 CD2 LEU B 179 -8.830 5.329 -13.291 1.00 73.13 C ATOM 0 HA LEU B 179 -9.816 7.987 -12.671 1.00 25.33 H new ATOM 0 HB2 LEU B 179 -7.909 8.171 -14.985 1.00 0.31 H new ATOM 0 HB3 LEU B 179 -7.571 7.877 -13.291 1.00 0.31 H new ATOM 0 HG LEU B 179 -8.641 5.919 -15.332 1.00 41.44 H new ATOM 0 HD11 LEU B 179 -6.625 4.648 -14.715 1.00 11.23 H new ATOM 0 HD12 LEU B 179 -6.222 6.267 -15.335 1.00 11.23 H new ATOM 0 HD13 LEU B 179 -6.159 5.943 -13.587 1.00 11.23 H new ATOM 0 HD21 LEU B 179 -8.741 4.265 -13.508 1.00 73.13 H new ATOM 0 HD22 LEU B 179 -8.360 5.545 -12.332 1.00 73.13 H new ATOM 0 HD23 LEU B 179 -9.884 5.603 -13.248 1.00 73.13 H new ATOM 1251 N ASN B 180 -10.955 10.176 -13.929 1.00 31.42 N ATOM 1252 CA ASN B 180 -11.183 11.594 -14.180 1.00 73.21 C ATOM 1253 C ASN B 180 -10.496 12.452 -13.122 1.00 31.40 C ATOM 1254 O ASN B 180 -9.772 13.392 -13.445 1.00 15.10 O ATOM 1255 CB ASN B 180 -12.683 11.894 -14.203 1.00 10.42 C ATOM 1256 CG ASN B 180 -13.018 13.101 -15.059 1.00 55.40 C ATOM 1257 OD1 ASN B 180 -12.623 13.180 -16.221 1.00 22.54 O ATOM 1258 ND2 ASN B 180 -13.752 14.047 -14.485 1.00 23.43 N ATOM 0 H ASN B 180 -11.793 9.653 -13.676 1.00 31.42 H new ATOM 0 HA ASN B 180 -10.756 11.839 -15.152 1.00 73.21 H new ATOM 0 HB2 ASN B 180 -13.219 11.024 -14.581 1.00 10.42 H new ATOM 0 HB3 ASN B 180 -13.032 12.066 -13.185 1.00 10.42 H new ATOM 0 HD21 ASN B 180 -14.010 14.882 -15.011 1.00 23.43 H new ATOM 0 HD22 ASN B 180 -14.058 13.939 -13.518 1.00 23.43 H new ATOM 1265 N ASN B 181 -10.729 12.118 -11.857 1.00 45.33 N ATOM 1266 CA ASN B 181 -10.133 12.858 -10.750 1.00 10.13 C ATOM 1267 C ASN B 181 -8.619 12.669 -10.722 1.00 14.41 C ATOM 1268 O ASN B 181 -7.876 13.573 -10.339 1.00 11.21 O ATOM 1269 CB ASN B 181 -10.739 12.405 -9.420 1.00 74.35 C ATOM 1270 CG ASN B 181 -11.950 13.229 -9.026 1.00 33.24 C ATOM 1271 OD1 ASN B 181 -11.819 14.284 -8.406 1.00 53.15 O ATOM 1272 ND2 ASN B 181 -13.135 12.749 -9.384 1.00 25.43 N ATOM 0 H ASN B 181 -11.325 11.341 -11.573 1.00 45.33 H new ATOM 0 HA ASN B 181 -10.347 13.917 -10.897 1.00 10.13 H new ATOM 0 HB2 ASN B 181 -11.025 11.356 -9.493 1.00 74.35 H new ATOM 0 HB3 ASN B 181 -9.984 12.476 -8.637 1.00 74.35 H new ATOM 0 HD21 ASN B 181 -13.985 13.260 -9.146 1.00 25.43 H new ATOM 0 HD22 ASN B 181 -13.195 11.870 -9.897 1.00 25.43 H new ATOM 1279 N THR B 182 -8.168 11.487 -11.131 1.00 64.50 N ATOM 1280 CA THR B 182 -6.744 11.178 -11.153 1.00 21.12 C ATOM 1281 C THR B 182 -5.984 12.151 -12.049 1.00 35.04 C ATOM 1282 O THR B 182 -4.932 12.666 -11.671 1.00 4.21 O ATOM 1283 CB THR B 182 -6.488 9.741 -11.642 1.00 73.31 C ATOM 1284 OG1 THR B 182 -7.069 8.802 -10.729 1.00 3.12 O ATOM 1285 CG2 THR B 182 -4.997 9.471 -11.775 1.00 64.32 C ATOM 0 H THR B 182 -8.769 10.728 -11.452 1.00 64.50 H new ATOM 0 HA THR B 182 -6.384 11.274 -10.129 1.00 21.12 H new ATOM 0 HB THR B 182 -6.950 9.627 -12.623 1.00 73.31 H new ATOM 0 HG1 THR B 182 -7.045 7.905 -11.123 1.00 3.12 H new ATOM 0 HG21 THR B 182 -4.842 8.449 -12.122 1.00 64.32 H new ATOM 0 HG22 THR B 182 -4.564 10.168 -12.493 1.00 64.32 H new ATOM 0 HG23 THR B 182 -4.516 9.602 -10.806 1.00 64.32 H new ATOM 1293 N LYS B 183 -6.523 12.397 -13.238 1.00 14.35 N ATOM 1294 CA LYS B 183 -5.897 13.309 -14.188 1.00 53.34 C ATOM 1295 C LYS B 183 -5.670 14.679 -13.558 1.00 3.45 C ATOM 1296 O LYS B 183 -4.644 15.318 -13.790 1.00 23.32 O ATOM 1297 CB LYS B 183 -6.768 13.450 -15.439 1.00 23.53 C ATOM 1298 CG LYS B 183 -6.024 13.159 -16.732 1.00 0.41 C ATOM 1299 CD LYS B 183 -5.832 14.420 -17.560 1.00 15.24 C ATOM 1300 CE LYS B 183 -6.971 14.616 -18.549 1.00 14.42 C ATOM 1301 NZ LYS B 183 -8.282 14.778 -17.860 1.00 24.21 N1+ ATOM 0 H LYS B 183 -7.393 11.977 -13.567 1.00 14.35 H new ATOM 0 HA LYS B 183 -4.930 12.893 -14.470 1.00 53.34 H new ATOM 0 HB2 LYS B 183 -7.618 12.773 -15.358 1.00 23.53 H new ATOM 0 HB3 LYS B 183 -7.170 14.462 -15.480 1.00 23.53 H new ATOM 0 HG2 LYS B 183 -5.052 12.721 -16.503 1.00 0.41 H new ATOM 0 HG3 LYS B 183 -6.577 12.421 -17.313 1.00 0.41 H new ATOM 0 HD2 LYS B 183 -5.770 15.285 -16.899 1.00 15.24 H new ATOM 0 HD3 LYS B 183 -4.886 14.362 -18.099 1.00 15.24 H new ATOM 0 HE2 LYS B 183 -6.772 15.495 -19.163 1.00 14.42 H new ATOM 0 HE3 LYS B 183 -7.018 13.761 -19.223 1.00 14.42 H new ATOM 0 HZ1 LYS B 183 -9.009 15.043 -18.555 1.00 24.21 H new ATOM 0 HZ2 LYS B 183 -8.548 13.881 -17.405 1.00 24.21 H new ATOM 0 HZ3 LYS B 183 -8.205 15.523 -17.138 1.00 24.21 H new ATOM 1315 N LYS B 184 -6.632 15.124 -12.757 1.00 42.50 N ATOM 1316 CA LYS B 184 -6.536 16.417 -12.090 1.00 1.23 C ATOM 1317 C LYS B 184 -5.538 16.362 -10.938 1.00 2.42 C ATOM 1318 O LYS B 184 -4.880 17.355 -10.624 1.00 61.33 O ATOM 1319 CB LYS B 184 -7.909 16.850 -11.569 1.00 72.30 C ATOM 1320 CG LYS B 184 -8.438 18.113 -12.226 1.00 1.13 C ATOM 1321 CD LYS B 184 -7.847 19.361 -11.591 1.00 53.53 C ATOM 1322 CE LYS B 184 -8.545 20.620 -12.082 1.00 52.23 C ATOM 1323 NZ LYS B 184 -7.572 21.687 -12.445 1.00 14.13 N1+ ATOM 0 H LYS B 184 -7.488 14.608 -12.554 1.00 42.50 H new ATOM 0 HA LYS B 184 -6.184 17.148 -12.818 1.00 1.23 H new ATOM 0 HB2 LYS B 184 -8.621 16.041 -11.730 1.00 72.30 H new ATOM 0 HB3 LYS B 184 -7.846 17.009 -10.493 1.00 72.30 H new ATOM 0 HG2 LYS B 184 -8.201 18.098 -13.290 1.00 1.13 H new ATOM 0 HG3 LYS B 184 -9.524 18.140 -12.142 1.00 1.13 H new ATOM 0 HD2 LYS B 184 -7.934 19.295 -10.507 1.00 53.53 H new ATOM 0 HD3 LYS B 184 -6.783 19.420 -11.822 1.00 53.53 H new ATOM 0 HE2 LYS B 184 -9.161 20.380 -12.949 1.00 52.23 H new ATOM 0 HE3 LYS B 184 -9.216 20.989 -11.307 1.00 52.23 H new ATOM 0 HZ1 LYS B 184 -8.087 22.528 -12.775 1.00 14.13 H new ATOM 0 HZ2 LYS B 184 -7.001 21.935 -11.612 1.00 14.13 H new ATOM 0 HZ3 LYS B 184 -6.947 21.344 -13.203 1.00 14.13 H new ATOM 1337 N VAL B 185 -5.430 15.195 -10.310 1.00 3.43 N ATOM 1338 CA VAL B 185 -4.509 15.010 -9.193 1.00 70.15 C ATOM 1339 C VAL B 185 -3.059 15.084 -9.659 1.00 50.54 C ATOM 1340 O VAL B 185 -2.208 15.656 -8.979 1.00 20.04 O ATOM 1341 CB VAL B 185 -4.744 13.660 -8.491 1.00 62.34 C ATOM 1342 CG1 VAL B 185 -3.755 13.473 -7.351 1.00 14.41 C ATOM 1343 CG2 VAL B 185 -6.176 13.563 -7.987 1.00 73.43 C ATOM 0 H VAL B 185 -5.968 14.364 -10.555 1.00 3.43 H new ATOM 0 HA VAL B 185 -4.701 15.817 -8.486 1.00 70.15 H new ATOM 0 HB VAL B 185 -4.584 12.861 -9.215 1.00 62.34 H new ATOM 0 HG11 VAL B 185 -3.936 12.514 -6.866 1.00 14.41 H new ATOM 0 HG12 VAL B 185 -2.738 13.495 -7.744 1.00 14.41 H new ATOM 0 HG13 VAL B 185 -3.881 14.276 -6.625 1.00 14.41 H new ATOM 0 HG21 VAL B 185 -6.324 12.602 -7.494 1.00 73.43 H new ATOM 0 HG22 VAL B 185 -6.367 14.368 -7.278 1.00 73.43 H new ATOM 0 HG23 VAL B 185 -6.864 13.649 -8.828 1.00 73.43 H new ATOM 1353 N ALA B 186 -2.787 14.503 -10.822 1.00 13.32 N ATOM 1354 CA ALA B 186 -1.439 14.505 -11.380 1.00 53.24 C ATOM 1355 C ALA B 186 -1.051 15.895 -11.871 1.00 0.44 C ATOM 1356 O ALA B 186 0.096 16.316 -11.727 1.00 3.22 O ATOM 1357 CB ALA B 186 -1.336 13.495 -12.513 1.00 1.41 C ATOM 0 H ALA B 186 -3.481 14.025 -11.397 1.00 13.32 H new ATOM 0 HA ALA B 186 -0.744 14.220 -10.590 1.00 53.24 H new ATOM 0 HB1 ALA B 186 -0.325 13.507 -12.920 1.00 1.41 H new ATOM 0 HB2 ALA B 186 -1.563 12.499 -12.134 1.00 1.41 H new ATOM 0 HB3 ALA B 186 -2.046 13.755 -13.298 1.00 1.41 H new ATOM 1363 N ASN B 187 -2.014 16.603 -12.452 1.00 63.13 N ATOM 1364 CA ASN B 187 -1.772 17.946 -12.966 1.00 24.04 C ATOM 1365 C ASN B 187 -1.442 18.912 -11.831 1.00 20.52 C ATOM 1366 O ASN B 187 -0.789 19.933 -12.042 1.00 23.10 O ATOM 1367 CB ASN B 187 -2.994 18.449 -13.737 1.00 30.23 C ATOM 1368 CG ASN B 187 -2.981 19.953 -13.924 1.00 41.25 C ATOM 1369 OD1 ASN B 187 -2.456 20.463 -14.914 1.00 62.44 O ATOM 1370 ND2 ASN B 187 -3.562 20.673 -12.971 1.00 60.11 N ATOM 0 H ASN B 187 -2.969 16.269 -12.579 1.00 63.13 H new ATOM 0 HA ASN B 187 -0.918 17.900 -13.642 1.00 24.04 H new ATOM 0 HB2 ASN B 187 -3.029 17.965 -14.713 1.00 30.23 H new ATOM 0 HB3 ASN B 187 -3.900 18.160 -13.205 1.00 30.23 H new ATOM 0 HD21 ASN B 187 -3.585 21.690 -13.043 1.00 60.11 H new ATOM 0 HD22 ASN B 187 -3.985 20.209 -12.167 1.00 60.11 H new ATOM 1377 N ALA B 188 -1.896 18.578 -10.627 1.00 24.32 N ATOM 1378 CA ALA B 188 -1.646 19.414 -9.459 1.00 13.54 C ATOM 1379 C ALA B 188 -0.156 19.688 -9.289 1.00 42.20 C ATOM 1380 O ALA B 188 0.253 20.827 -9.060 1.00 44.44 O ATOM 1381 CB ALA B 188 -2.210 18.753 -8.209 1.00 25.12 C ATOM 0 H ALA B 188 -2.438 17.736 -10.435 1.00 24.32 H new ATOM 0 HA ALA B 188 -2.148 20.369 -9.611 1.00 13.54 H new ATOM 0 HB1 ALA B 188 -2.017 19.387 -7.344 1.00 25.12 H new ATOM 0 HB2 ALA B 188 -3.285 18.614 -8.324 1.00 25.12 H new ATOM 0 HB3 ALA B 188 -1.732 17.784 -8.063 1.00 25.12 H new ATOM 1387 N PHE B 189 0.651 18.639 -9.401 1.00 13.40 N ATOM 1388 CA PHE B 189 2.097 18.768 -9.257 1.00 33.01 C ATOM 1389 C PHE B 189 2.648 19.811 -10.223 1.00 3.10 C ATOM 1390 O PHE B 189 3.687 20.420 -9.970 1.00 21.53 O ATOM 1391 CB PHE B 189 2.777 17.419 -9.502 1.00 53.43 C ATOM 1392 CG PHE B 189 2.362 16.352 -8.529 1.00 41.15 C ATOM 1393 CD1 PHE B 189 2.221 16.642 -7.182 1.00 30.02 C ATOM 1394 CD2 PHE B 189 2.112 15.061 -8.963 1.00 35.31 C ATOM 1395 CE1 PHE B 189 1.838 15.663 -6.284 1.00 61.42 C ATOM 1396 CE2 PHE B 189 1.728 14.078 -8.070 1.00 31.25 C ATOM 1397 CZ PHE B 189 1.593 14.379 -6.729 1.00 54.13 C ATOM 0 H PHE B 189 0.329 17.690 -9.591 1.00 13.40 H new ATOM 0 HA PHE B 189 2.309 19.094 -8.239 1.00 33.01 H new ATOM 0 HB2 PHE B 189 2.549 17.085 -10.514 1.00 53.43 H new ATOM 0 HB3 PHE B 189 3.858 17.550 -9.446 1.00 53.43 H new ATOM 0 HD1 PHE B 189 2.412 17.645 -6.829 1.00 30.02 H new ATOM 0 HD2 PHE B 189 2.218 14.819 -10.010 1.00 35.31 H new ATOM 0 HE1 PHE B 189 1.731 15.902 -5.236 1.00 61.42 H new ATOM 0 HE2 PHE B 189 1.534 13.075 -8.421 1.00 31.25 H new ATOM 0 HZ PHE B 189 1.296 13.611 -6.030 1.00 54.13 H new ATOM 1407 N GLY B 190 1.944 20.012 -11.333 1.00 63.33 N ATOM 1408 CA GLY B 190 2.378 20.982 -12.322 1.00 1.14 C ATOM 1409 C GLY B 190 3.439 20.426 -13.252 1.00 45.34 C ATOM 1410 O GLY B 190 4.627 20.433 -12.926 1.00 53.33 O ATOM 0 H GLY B 190 1.081 19.520 -11.565 1.00 63.33 H new ATOM 0 HA2 GLY B 190 1.519 21.307 -12.909 1.00 1.14 H new ATOM 0 HA3 GLY B 190 2.770 21.864 -11.815 1.00 1.14 H new ATOM 1414 N LEU B 191 3.010 19.943 -14.412 1.00 62.33 N ATOM 1415 CA LEU B 191 3.931 19.379 -15.394 1.00 14.31 C ATOM 1416 C LEU B 191 3.648 19.932 -16.786 1.00 33.53 C ATOM 1417 O LEU B 191 4.390 20.772 -17.294 1.00 40.23 O ATOM 1418 CB LEU B 191 3.823 17.854 -15.406 1.00 34.02 C ATOM 1419 CG LEU B 191 4.349 17.133 -14.164 1.00 43.31 C ATOM 1420 CD1 LEU B 191 3.349 16.092 -13.685 1.00 72.52 C ATOM 1421 CD2 LEU B 191 5.697 16.488 -14.453 1.00 53.52 C ATOM 0 H LEU B 191 2.031 19.930 -14.697 1.00 62.33 H new ATOM 0 HA LEU B 191 4.945 19.663 -15.110 1.00 14.31 H new ATOM 0 HB2 LEU B 191 2.775 17.585 -15.541 1.00 34.02 H new ATOM 0 HB3 LEU B 191 4.363 17.479 -16.275 1.00 34.02 H new ATOM 0 HG LEU B 191 4.483 17.868 -13.371 1.00 43.31 H new ATOM 0 HD11 LEU B 191 3.742 15.590 -12.801 1.00 72.52 H new ATOM 0 HD12 LEU B 191 2.406 16.580 -13.437 1.00 72.52 H new ATOM 0 HD13 LEU B 191 3.181 15.359 -14.474 1.00 72.52 H new ATOM 0 HD21 LEU B 191 6.056 15.979 -13.558 1.00 53.52 H new ATOM 0 HD22 LEU B 191 5.589 15.766 -15.262 1.00 53.52 H new ATOM 0 HD23 LEU B 191 6.413 17.256 -14.746 1.00 53.52 H new ATOM 1433 N ASN B 192 2.569 19.455 -17.398 1.00 71.32 N ATOM 1434 CA ASN B 192 2.187 19.903 -18.733 1.00 74.23 C ATOM 1435 C ASN B 192 0.906 19.210 -19.192 1.00 64.43 C ATOM 1436 O ASN B 192 -0.163 19.819 -19.220 1.00 72.51 O ATOM 1437 CB ASN B 192 3.315 19.625 -19.729 1.00 44.52 C ATOM 1438 CG ASN B 192 4.031 20.893 -20.157 1.00 31.05 C ATOM 1439 OD1 ASN B 192 3.417 21.950 -20.294 1.00 41.24 O ATOM 1440 ND2 ASN B 192 5.337 20.789 -20.371 1.00 21.15 N ATOM 0 H ASN B 192 1.944 18.759 -16.992 1.00 71.32 H new ATOM 0 HA ASN B 192 2.005 20.977 -18.691 1.00 74.23 H new ATOM 0 HB2 ASN B 192 4.033 18.939 -19.279 1.00 44.52 H new ATOM 0 HB3 ASN B 192 2.906 19.127 -20.608 1.00 44.52 H new ATOM 0 HD21 ASN B 192 5.873 21.607 -20.662 1.00 21.15 H new ATOM 0 HD22 ASN B 192 5.805 19.891 -20.245 1.00 21.15 H new ATOM 1447 N GLU B 193 1.026 17.937 -19.552 1.00 54.43 N ATOM 1448 CA GLU B 193 -0.122 17.163 -20.011 1.00 74.11 C ATOM 1449 C GLU B 193 0.282 15.727 -20.333 1.00 63.44 C ATOM 1450 O GLU B 193 -0.413 14.780 -19.972 1.00 14.42 O ATOM 1451 CB GLU B 193 -0.747 17.817 -21.244 1.00 64.45 C ATOM 1452 CG GLU B 193 0.268 18.204 -22.307 1.00 62.11 C ATOM 1453 CD GLU B 193 -0.362 18.935 -23.477 1.00 31.41 C ATOM 1454 OE1 GLU B 193 -1.601 19.087 -23.484 1.00 73.45 O1- ATOM 1455 OE2 GLU B 193 0.385 19.355 -24.386 1.00 3.54 O ATOM 0 H GLU B 193 1.905 17.420 -19.535 1.00 54.43 H new ATOM 0 HA GLU B 193 -0.858 17.143 -19.207 1.00 74.11 H new ATOM 0 HB2 GLU B 193 -1.474 17.131 -21.680 1.00 64.45 H new ATOM 0 HB3 GLU B 193 -1.294 18.707 -20.935 1.00 64.45 H new ATOM 0 HG2 GLU B 193 1.035 18.836 -21.859 1.00 62.11 H new ATOM 0 HG3 GLU B 193 0.768 17.306 -22.671 1.00 62.11 H new ATOM 1462 N GLU B 194 1.413 15.577 -21.016 1.00 73.54 N ATOM 1463 CA GLU B 194 1.909 14.258 -21.389 1.00 33.41 C ATOM 1464 C GLU B 194 2.419 13.503 -20.164 1.00 34.41 C ATOM 1465 O GLU B 194 2.212 12.295 -20.036 1.00 24.34 O ATOM 1466 CB GLU B 194 3.028 14.383 -22.426 1.00 50.31 C ATOM 1467 CG GLU B 194 3.426 13.059 -23.055 1.00 73.32 C ATOM 1468 CD GLU B 194 4.055 13.229 -24.424 1.00 20.14 C ATOM 1469 OE1 GLU B 194 4.695 14.276 -24.656 1.00 42.14 O ATOM 1470 OE2 GLU B 194 3.907 12.317 -25.264 1.00 13.04 O1- ATOM 0 H GLU B 194 2.002 16.352 -21.322 1.00 73.54 H new ATOM 0 HA GLU B 194 1.082 13.697 -21.824 1.00 33.41 H new ATOM 0 HB2 GLU B 194 2.709 15.067 -23.212 1.00 50.31 H new ATOM 0 HB3 GLU B 194 3.903 14.828 -21.952 1.00 50.31 H new ATOM 0 HG2 GLU B 194 4.128 12.545 -22.398 1.00 73.32 H new ATOM 0 HG3 GLU B 194 2.545 12.422 -23.140 1.00 73.32 H new ATOM 1477 N ASP B 195 3.085 14.222 -19.268 1.00 60.43 N ATOM 1478 CA ASP B 195 3.624 13.622 -18.054 1.00 15.43 C ATOM 1479 C ASP B 195 2.511 13.004 -17.212 1.00 72.24 C ATOM 1480 O ASP B 195 2.678 11.930 -16.632 1.00 31.41 O ATOM 1481 CB ASP B 195 4.379 14.668 -17.233 1.00 11.24 C ATOM 1482 CG ASP B 195 5.489 15.333 -18.023 1.00 72.21 C ATOM 1483 OD1 ASP B 195 5.175 16.116 -18.944 1.00 54.43 O ATOM 1484 OD2 ASP B 195 6.671 15.070 -17.720 1.00 23.42 O1- ATOM 0 H ASP B 195 3.265 15.222 -19.360 1.00 60.43 H new ATOM 0 HA ASP B 195 4.316 12.832 -18.346 1.00 15.43 H new ATOM 0 HB2 ASP B 195 3.679 15.428 -16.886 1.00 11.24 H new ATOM 0 HB3 ASP B 195 4.801 14.195 -16.347 1.00 11.24 H new ATOM 1489 N THR B 196 1.373 13.689 -17.150 1.00 10.12 N ATOM 1490 CA THR B 196 0.234 13.210 -16.379 1.00 13.41 C ATOM 1491 C THR B 196 -0.280 11.882 -16.925 1.00 51.55 C ATOM 1492 O THR B 196 -0.594 10.967 -16.165 1.00 41.23 O ATOM 1493 CB THR B 196 -0.917 14.233 -16.381 1.00 40.05 C ATOM 1494 OG1 THR B 196 -0.477 15.465 -15.799 1.00 4.33 O ATOM 1495 CG2 THR B 196 -2.116 13.702 -15.610 1.00 11.31 C ATOM 0 H THR B 196 1.217 14.578 -17.625 1.00 10.12 H new ATOM 0 HA THR B 196 0.582 13.069 -15.356 1.00 13.41 H new ATOM 0 HB THR B 196 -1.218 14.406 -17.414 1.00 40.05 H new ATOM 0 HG1 THR B 196 -1.214 16.111 -15.805 1.00 4.33 H new ATOM 0 HG21 THR B 196 -2.916 14.443 -15.626 1.00 11.31 H new ATOM 0 HG22 THR B 196 -2.467 12.779 -16.073 1.00 11.31 H new ATOM 0 HG23 THR B 196 -1.826 13.503 -14.578 1.00 11.31 H new ATOM 1503 N ASN B 197 -0.365 11.785 -18.248 1.00 44.05 N ATOM 1504 CA ASN B 197 -0.842 10.569 -18.897 1.00 45.20 C ATOM 1505 C ASN B 197 0.128 9.415 -18.668 1.00 13.13 C ATOM 1506 O ASN B 197 -0.286 8.270 -18.476 1.00 1.10 O ATOM 1507 CB ASN B 197 -1.027 10.805 -20.397 1.00 11.35 C ATOM 1508 CG ASN B 197 -2.455 11.171 -20.753 1.00 64.54 C ATOM 1509 OD1 ASN B 197 -3.365 10.350 -20.639 1.00 43.50 O ATOM 1510 ND2 ASN B 197 -2.656 12.409 -21.189 1.00 61.33 N ATOM 0 H ASN B 197 -0.110 12.534 -18.892 1.00 44.05 H new ATOM 0 HA ASN B 197 -1.804 10.305 -18.457 1.00 45.20 H new ATOM 0 HB2 ASN B 197 -0.359 11.603 -20.722 1.00 11.35 H new ATOM 0 HB3 ASN B 197 -0.739 9.906 -20.942 1.00 11.35 H new ATOM 0 HD21 ASN B 197 -3.595 12.713 -21.445 1.00 61.33 H new ATOM 0 HD22 ASN B 197 -1.871 13.056 -21.267 1.00 61.33 H new ATOM 1517 N LEU B 198 1.420 9.721 -18.687 1.00 24.22 N ATOM 1518 CA LEU B 198 2.451 8.710 -18.481 1.00 50.14 C ATOM 1519 C LEU B 198 2.308 8.060 -17.109 1.00 11.20 C ATOM 1520 O LEU B 198 2.396 6.838 -16.976 1.00 42.34 O ATOM 1521 CB LEU B 198 3.840 9.333 -18.621 1.00 23.10 C ATOM 1522 CG LEU B 198 4.992 8.357 -18.866 1.00 62.33 C ATOM 1523 CD1 LEU B 198 5.279 8.234 -20.354 1.00 63.43 C ATOM 1524 CD2 LEU B 198 6.238 8.804 -18.116 1.00 63.21 C ATOM 0 H LEU B 198 1.779 10.663 -18.843 1.00 24.22 H new ATOM 0 HA LEU B 198 2.328 7.940 -19.243 1.00 50.14 H new ATOM 0 HB2 LEU B 198 3.814 10.048 -19.444 1.00 23.10 H new ATOM 0 HB3 LEU B 198 4.056 9.898 -17.714 1.00 23.10 H new ATOM 0 HG LEU B 198 4.699 7.377 -18.491 1.00 62.33 H new ATOM 0 HD11 LEU B 198 6.101 7.536 -20.509 1.00 63.43 H new ATOM 0 HD12 LEU B 198 4.390 7.867 -20.867 1.00 63.43 H new ATOM 0 HD13 LEU B 198 5.552 9.211 -20.754 1.00 63.43 H new ATOM 0 HD21 LEU B 198 7.047 8.098 -18.302 1.00 63.21 H new ATOM 0 HD22 LEU B 198 6.534 9.795 -18.461 1.00 63.21 H new ATOM 0 HD23 LEU B 198 6.026 8.840 -17.047 1.00 63.21 H new ATOM 1536 N LEU B 199 2.086 8.883 -16.090 1.00 11.24 N ATOM 1537 CA LEU B 199 1.929 8.388 -14.726 1.00 75.35 C ATOM 1538 C LEU B 199 0.701 7.490 -14.611 1.00 61.43 C ATOM 1539 O LEU B 199 0.772 6.393 -14.057 1.00 10.30 O ATOM 1540 CB LEU B 199 1.813 9.558 -13.749 1.00 63.00 C ATOM 1541 CG LEU B 199 1.570 9.188 -12.285 1.00 41.35 C ATOM 1542 CD1 LEU B 199 2.856 9.314 -11.482 1.00 52.43 C ATOM 1543 CD2 LEU B 199 0.477 10.064 -11.688 1.00 24.42 C ATOM 0 H LEU B 199 2.011 9.896 -16.182 1.00 11.24 H new ATOM 0 HA LEU B 199 2.811 7.799 -14.475 1.00 75.35 H new ATOM 0 HB2 LEU B 199 2.729 10.146 -13.807 1.00 63.00 H new ATOM 0 HB3 LEU B 199 0.999 10.203 -14.080 1.00 63.00 H new ATOM 0 HG LEU B 199 1.240 8.150 -12.242 1.00 41.35 H new ATOM 0 HD11 LEU B 199 2.664 9.047 -10.443 1.00 52.43 H new ATOM 0 HD12 LEU B 199 3.610 8.644 -11.895 1.00 52.43 H new ATOM 0 HD13 LEU B 199 3.217 10.341 -11.532 1.00 52.43 H new ATOM 0 HD21 LEU B 199 0.317 9.787 -10.646 1.00 24.42 H new ATOM 0 HD22 LEU B 199 0.778 11.110 -11.743 1.00 24.42 H new ATOM 0 HD23 LEU B 199 -0.448 9.923 -12.247 1.00 24.42 H new ATOM 1555 N ILE B 200 -0.423 7.963 -15.141 1.00 11.05 N ATOM 1556 CA ILE B 200 -1.665 7.201 -15.100 1.00 44.51 C ATOM 1557 C ILE B 200 -1.541 5.905 -15.892 1.00 14.52 C ATOM 1558 O ILE B 200 -2.165 4.899 -15.556 1.00 71.44 O ATOM 1559 CB ILE B 200 -2.845 8.020 -15.656 1.00 75.24 C ATOM 1560 CG1 ILE B 200 -3.068 9.276 -14.811 1.00 72.41 C ATOM 1561 CG2 ILE B 200 -4.107 7.171 -15.695 1.00 74.21 C ATOM 1562 CD1 ILE B 200 -4.221 10.130 -15.290 1.00 13.14 C ATOM 0 H ILE B 200 -0.499 8.869 -15.603 1.00 11.05 H new ATOM 0 HA ILE B 200 -1.858 6.966 -14.053 1.00 44.51 H new ATOM 0 HB ILE B 200 -2.605 8.328 -16.674 1.00 75.24 H new ATOM 0 HG12 ILE B 200 -3.250 8.981 -13.777 1.00 72.41 H new ATOM 0 HG13 ILE B 200 -2.157 9.874 -14.816 1.00 72.41 H new ATOM 0 HG21 ILE B 200 -4.932 7.764 -16.090 1.00 74.21 H new ATOM 0 HG22 ILE B 200 -3.943 6.305 -16.336 1.00 74.21 H new ATOM 0 HG23 ILE B 200 -4.351 6.836 -14.687 1.00 74.21 H new ATOM 0 HD11 ILE B 200 -4.320 11.003 -14.644 1.00 13.14 H new ATOM 0 HD12 ILE B 200 -4.032 10.455 -16.313 1.00 13.14 H new ATOM 0 HD13 ILE B 200 -5.142 9.548 -15.258 1.00 13.14 H new ATOM 1574 N ASN B 201 -0.729 5.936 -16.943 1.00 71.35 N ATOM 1575 CA ASN B 201 -0.522 4.761 -17.784 1.00 42.32 C ATOM 1576 C ASN B 201 0.158 3.644 -16.999 1.00 52.40 C ATOM 1577 O ASN B 201 -0.145 2.467 -17.187 1.00 15.31 O ATOM 1578 CB ASN B 201 0.321 5.126 -19.007 1.00 61.25 C ATOM 1579 CG ASN B 201 0.141 4.143 -20.148 1.00 5.32 C ATOM 1580 OD1 ASN B 201 -0.297 3.012 -19.943 1.00 74.02 O ATOM 1581 ND2 ASN B 201 0.480 4.573 -21.358 1.00 50.23 N ATOM 0 H ASN B 201 -0.204 6.761 -17.233 1.00 71.35 H new ATOM 0 HA ASN B 201 -1.498 4.406 -18.116 1.00 42.32 H new ATOM 0 HB2 ASN B 201 0.050 6.126 -19.346 1.00 61.25 H new ATOM 0 HB3 ASN B 201 1.373 5.160 -18.723 1.00 61.25 H new ATOM 0 HD21 ASN B 201 0.381 3.956 -22.165 1.00 50.23 H new ATOM 0 HD22 ASN B 201 0.839 5.520 -21.481 1.00 50.23 H new ATOM 1588 N ALA B 202 1.078 4.022 -16.118 1.00 44.42 N ATOM 1589 CA ALA B 202 1.799 3.053 -15.302 1.00 44.05 C ATOM 1590 C ALA B 202 0.904 2.485 -14.206 1.00 4.13 C ATOM 1591 O ALA B 202 0.889 1.277 -13.967 1.00 52.04 O ATOM 1592 CB ALA B 202 3.040 3.693 -14.695 1.00 54.42 C ATOM 0 H ALA B 202 1.342 4.993 -15.951 1.00 44.42 H new ATOM 0 HA ALA B 202 2.107 2.230 -15.946 1.00 44.05 H new ATOM 0 HB1 ALA B 202 3.569 2.958 -14.088 1.00 54.42 H new ATOM 0 HB2 ALA B 202 3.695 4.044 -15.492 1.00 54.42 H new ATOM 0 HB3 ALA B 202 2.746 4.536 -14.069 1.00 54.42 H new ATOM 1598 N VAL B 203 0.161 3.363 -13.540 1.00 61.03 N ATOM 1599 CA VAL B 203 -0.737 2.948 -12.469 1.00 23.04 C ATOM 1600 C VAL B 203 -1.902 2.131 -13.014 1.00 54.20 C ATOM 1601 O VAL B 203 -2.177 1.029 -12.538 1.00 70.43 O ATOM 1602 CB VAL B 203 -1.291 4.162 -11.700 1.00 43.31 C ATOM 1603 CG1 VAL B 203 -1.978 3.715 -10.419 1.00 53.34 C ATOM 1604 CG2 VAL B 203 -0.179 5.155 -11.399 1.00 24.35 C ATOM 0 H VAL B 203 0.163 4.366 -13.723 1.00 61.03 H new ATOM 0 HA VAL B 203 -0.152 2.331 -11.787 1.00 23.04 H new ATOM 0 HB VAL B 203 -2.031 4.659 -12.327 1.00 43.31 H new ATOM 0 HG11 VAL B 203 -2.363 4.586 -9.889 1.00 53.34 H new ATOM 0 HG12 VAL B 203 -2.803 3.045 -10.663 1.00 53.34 H new ATOM 0 HG13 VAL B 203 -1.262 3.192 -9.785 1.00 53.34 H new ATOM 0 HG21 VAL B 203 -0.589 6.006 -10.855 1.00 24.35 H new ATOM 0 HG22 VAL B 203 0.586 4.671 -10.792 1.00 24.35 H new ATOM 0 HG23 VAL B 203 0.263 5.500 -12.333 1.00 24.35 H new ATOM 1614 N ASP B 204 -2.584 2.677 -14.015 1.00 42.22 N ATOM 1615 CA ASP B 204 -3.720 1.998 -14.627 1.00 52.00 C ATOM 1616 C ASP B 204 -3.310 0.630 -15.164 1.00 54.14 C ATOM 1617 O ASP B 204 -4.063 -0.340 -15.061 1.00 21.12 O ATOM 1618 CB ASP B 204 -4.302 2.850 -15.756 1.00 54.34 C ATOM 1619 CG ASP B 204 -5.264 2.070 -16.632 1.00 22.51 C ATOM 1620 OD1 ASP B 204 -6.169 1.412 -16.079 1.00 14.43 O1- ATOM 1621 OD2 ASP B 204 -5.109 2.116 -17.870 1.00 63.05 O ATOM 0 H ASP B 204 -2.370 3.588 -14.420 1.00 42.22 H new ATOM 0 HA ASP B 204 -4.482 1.854 -13.861 1.00 52.00 H new ATOM 0 HB2 ASP B 204 -4.819 3.710 -15.329 1.00 54.34 H new ATOM 0 HB3 ASP B 204 -3.490 3.239 -16.370 1.00 54.34 H new ATOM 1626 N LEU B 205 -2.113 0.560 -15.737 1.00 55.35 N ATOM 1627 CA LEU B 205 -1.604 -0.690 -16.292 1.00 4.13 C ATOM 1628 C LEU B 205 -1.191 -1.650 -15.180 1.00 63.35 C ATOM 1629 O LEU B 205 -1.337 -2.866 -15.311 1.00 44.25 O ATOM 1630 CB LEU B 205 -0.413 -0.413 -17.211 1.00 70.41 C ATOM 1631 CG LEU B 205 0.144 -1.619 -17.968 1.00 24.44 C ATOM 1632 CD1 LEU B 205 0.573 -1.218 -19.371 1.00 2.14 C ATOM 1633 CD2 LEU B 205 1.312 -2.233 -17.207 1.00 44.54 C ATOM 0 H LEU B 205 -1.478 1.353 -15.829 1.00 55.35 H new ATOM 0 HA LEU B 205 -2.402 -1.155 -16.871 1.00 4.13 H new ATOM 0 HB2 LEU B 205 -0.709 0.343 -17.939 1.00 70.41 H new ATOM 0 HB3 LEU B 205 0.390 0.018 -16.613 1.00 70.41 H new ATOM 0 HG LEU B 205 -0.645 -2.367 -18.051 1.00 24.44 H new ATOM 0 HD11 LEU B 205 0.967 -2.089 -19.894 1.00 2.14 H new ATOM 0 HD12 LEU B 205 -0.286 -0.825 -19.916 1.00 2.14 H new ATOM 0 HD13 LEU B 205 1.346 -0.452 -19.310 1.00 2.14 H new ATOM 0 HD21 LEU B 205 1.696 -3.090 -17.760 1.00 44.54 H new ATOM 0 HD22 LEU B 205 2.102 -1.491 -17.093 1.00 44.54 H new ATOM 0 HD23 LEU B 205 0.974 -2.558 -16.223 1.00 44.54 H new ATOM 1645 N ASP B 206 -0.676 -1.096 -14.089 1.00 10.02 N ATOM 1646 CA ASP B 206 -0.245 -1.903 -12.953 1.00 24.25 C ATOM 1647 C ASP B 206 -1.427 -2.635 -12.327 1.00 4.23 C ATOM 1648 O ASP B 206 -1.354 -3.833 -12.053 1.00 55.12 O ATOM 1649 CB ASP B 206 0.440 -1.023 -11.906 1.00 33.31 C ATOM 1650 CG ASP B 206 1.175 -1.836 -10.858 1.00 74.54 C ATOM 1651 OD1 ASP B 206 2.354 -2.177 -11.090 1.00 50.00 O ATOM 1652 OD2 ASP B 206 0.571 -2.131 -9.806 1.00 34.42 O1- ATOM 0 H ASP B 206 -0.547 -0.092 -13.966 1.00 10.02 H new ATOM 0 HA ASP B 206 0.467 -2.645 -13.315 1.00 24.25 H new ATOM 0 HB2 ASP B 206 1.143 -0.354 -12.402 1.00 33.31 H new ATOM 0 HB3 ASP B 206 -0.306 -0.396 -11.418 1.00 33.31 H new ATOM 1657 N ILE B 207 -2.515 -1.906 -12.100 1.00 11.24 N ATOM 1658 CA ILE B 207 -3.713 -2.487 -11.505 1.00 63.11 C ATOM 1659 C ILE B 207 -4.356 -3.501 -12.444 1.00 32.43 C ATOM 1660 O ILE B 207 -4.812 -4.560 -12.012 1.00 73.25 O ATOM 1661 CB ILE B 207 -4.748 -1.402 -11.152 1.00 62.31 C ATOM 1662 CG1 ILE B 207 -4.177 -0.442 -10.108 1.00 3.31 C ATOM 1663 CG2 ILE B 207 -6.033 -2.041 -10.646 1.00 64.51 C ATOM 1664 CD1 ILE B 207 -4.250 1.012 -10.519 1.00 4.31 C ATOM 0 H ILE B 207 -2.592 -0.913 -12.319 1.00 11.24 H new ATOM 0 HA ILE B 207 -3.400 -2.990 -10.590 1.00 63.11 H new ATOM 0 HB ILE B 207 -4.978 -0.833 -12.053 1.00 62.31 H new ATOM 0 HG12 ILE B 207 -4.718 -0.574 -9.171 1.00 3.31 H new ATOM 0 HG13 ILE B 207 -3.137 -0.705 -9.915 1.00 3.31 H new ATOM 0 HG21 ILE B 207 -6.755 -1.262 -10.401 1.00 64.51 H new ATOM 0 HG22 ILE B 207 -6.447 -2.688 -11.419 1.00 64.51 H new ATOM 0 HG23 ILE B 207 -5.819 -2.631 -9.755 1.00 64.51 H new ATOM 0 HD11 ILE B 207 -3.827 1.635 -9.731 1.00 4.31 H new ATOM 0 HD12 ILE B 207 -3.685 1.159 -11.439 1.00 4.31 H new ATOM 0 HD13 ILE B 207 -5.291 1.292 -10.684 1.00 4.31 H new ATOM 1676 N LYS B 208 -4.388 -3.172 -13.730 1.00 30.42 N ATOM 1677 CA LYS B 208 -4.972 -4.055 -14.733 1.00 4.25 C ATOM 1678 C LYS B 208 -4.310 -5.429 -14.700 1.00 14.51 C ATOM 1679 O LYS B 208 -4.976 -6.453 -14.852 1.00 23.31 O ATOM 1680 CB LYS B 208 -4.829 -3.442 -16.128 1.00 50.23 C ATOM 1681 CG LYS B 208 -5.452 -4.283 -17.229 1.00 51.11 C ATOM 1682 CD LYS B 208 -4.455 -4.581 -18.335 1.00 23.41 C ATOM 1683 CE LYS B 208 -3.631 -5.822 -18.026 1.00 11.32 C ATOM 1684 NZ LYS B 208 -3.716 -6.831 -19.117 1.00 42.41 N1+ ATOM 0 H LYS B 208 -4.016 -2.299 -14.103 1.00 30.42 H new ATOM 0 HA LYS B 208 -6.031 -4.175 -14.502 1.00 4.25 H new ATOM 0 HB2 LYS B 208 -5.291 -2.455 -16.131 1.00 50.23 H new ATOM 0 HB3 LYS B 208 -3.771 -3.299 -16.346 1.00 50.23 H new ATOM 0 HG2 LYS B 208 -5.821 -5.219 -16.809 1.00 51.11 H new ATOM 0 HG3 LYS B 208 -6.313 -3.759 -17.645 1.00 51.11 H new ATOM 0 HD2 LYS B 208 -4.986 -4.721 -19.276 1.00 23.41 H new ATOM 0 HD3 LYS B 208 -3.791 -3.727 -18.468 1.00 23.41 H new ATOM 0 HE2 LYS B 208 -2.590 -5.538 -17.875 1.00 11.32 H new ATOM 0 HE3 LYS B 208 -3.979 -6.266 -17.093 1.00 11.32 H new ATOM 0 HZ1 LYS B 208 -3.141 -7.661 -18.868 1.00 42.41 H new ATOM 0 HZ2 LYS B 208 -4.706 -7.122 -19.245 1.00 42.41 H new ATOM 0 HZ3 LYS B 208 -3.360 -6.416 -20.002 1.00 42.41 H new ATOM 1698 N ASN B 209 -2.996 -5.443 -14.497 1.00 70.22 N ATOM 1699 CA ASN B 209 -2.245 -6.692 -14.443 1.00 41.15 C ATOM 1700 C ASN B 209 -2.686 -7.541 -13.254 1.00 63.13 C ATOM 1701 O ASN B 209 -2.632 -8.769 -13.302 1.00 42.30 O ATOM 1702 CB ASN B 209 -0.745 -6.405 -14.351 1.00 10.24 C ATOM 1703 CG ASN B 209 0.088 -7.439 -15.085 1.00 41.31 C ATOM 1704 OD1 ASN B 209 -0.431 -8.455 -15.546 1.00 32.34 O ATOM 1705 ND2 ASN B 209 1.385 -7.180 -15.197 1.00 32.04 N ATOM 0 H ASN B 209 -2.430 -4.604 -14.367 1.00 70.22 H new ATOM 0 HA ASN B 209 -2.446 -7.248 -15.358 1.00 41.15 H new ATOM 0 HB2 ASN B 209 -0.541 -5.418 -14.765 1.00 10.24 H new ATOM 0 HB3 ASN B 209 -0.446 -6.379 -13.303 1.00 10.24 H new ATOM 0 HD21 ASN B 209 1.996 -7.837 -15.682 1.00 32.04 H new ATOM 0 HD22 ASN B 209 1.770 -6.324 -14.798 1.00 32.04 H new